CdSi2Rh
Alexandria ALEXAlex-ID: agm002020008 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4496_spg1
Si4Rh3 Cd Si
2021-11-13 07:14:10.030021
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002020008).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm002020008
data_agm002020008
_cell_length_a 3.95626
_cell_length_b 4.43551
_cell_length_c 4.83770
_cell_angle_alpha 76.02832
_cell_angle_beta 64.95887
_cell_angle_gamma 90.54292
_cell_volume 74.03267
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 Cd 0.05467 0.32132 0.26516 1.00000
Si1 Si 0.70864 0.06248 0.95896 1.00000
Si2 Si 0.46095 0.73261 0.47673 1.00000
Rh1 Rh 0.80865 0.61009 0.76838 1.00000
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